| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:15 UTC |
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| Update Date | 2025-03-21 18:34:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098687 |
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| Frequency | 27.9 |
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| Structure | |
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| Chemical Formula | C15H16O13 |
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| Molecular Mass | 404.0591 |
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| SMILES | O=C(O)C1Oc2c(O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2OC1O |
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| InChI Key | QHJRCLQKTRBFOR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersbenzo-1,4-dioxanesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespara dioxinsphenol etherspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebenzodioxanebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundhemiacetaloxaneorganoheterocyclic compoundalcoholbenzo-1,4-dioxanepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclepara-dioxinpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoid |
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